2-methoxy-3,6-dimethyl-4H-pyran

C8H12O2 — CID 13134668

IUPAC2-methoxy-3,6-dimethyl-4H-pyran
SMILESCOC1=C(C)CC=C(C)O1
InChIInChI=1S/C8H12O2/c1-6-4-5-7(2)10-8(6)9-3/h5H,4H2,1-3H3
InChIKeyKWNPAGPGGKDLAC-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.19
Rot. Bonds1

About 2-methoxy-3,6-dimethyl-4H-pyran

2-methoxy-3,6-dimethyl-4H-pyran (PubChem CID 13134668) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methoxy-3,6-dimethyl-4H-pyran.

Molecular Properties

Compound Name2-methoxy-3,6-dimethyl-4H-pyran
PubChem CID13134668
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methoxy-3,6-dimethyl-4H-pyran
SMILESCOC1=C(C)CC=C(C)O1
InChIInChI=1S/C8H12O2/c1-6-4-5-7(2)10-8(6)9-3/h5H,4H2,1-3H3
InChIKeyKWNPAGPGGKDLAC-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6-dimethyl-4H-pyran?
The IUPAC name of 2-methoxy-3,6-dimethyl-4H-pyran (CID 13134668) is 2-methoxy-3,6-dimethyl-4H-pyran.
What is the SMILES notation for 2-methoxy-3,6-dimethyl-4H-pyran?
The canonical SMILES for 2-methoxy-3,6-dimethyl-4H-pyran is COC1=C(C)CC=C(C)O1.
What is the InChIKey of 2-methoxy-3,6-dimethyl-4H-pyran?
The InChIKey is KWNPAGPGGKDLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-5-7(2)10-8(6)9-3/h5H,4H2,1-3H3.
What are the key properties of 2-methoxy-3,6-dimethyl-4H-pyran?
2-methoxy-3,6-dimethyl-4H-pyran has a molecular weight of 140.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6-dimethyl-4H-pyran is sourced from PubChem (CID 13134668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).